TABLE 3:: Names used for the tables and files here and the corresponding IUPAC names.
Test set name

IUPAC name

1112 tetrachloroethane
111 trichloroethane
111 trifluoro 222 trimethoxyethane
111 trifluoropropan 2 ol
111 trimethoxyethane
1122 tetrachloroethane
112 trichloro 122 trifluoroethane
112 trichloroethane
11 diacetoxyethane
11 dichloroethane
11 dichloroethene
11 diethoxyethane
11 difluoroethane
1234 tetrachlorobenzene
1235 tetrachlorobenzene
123 trichlorobenzene
123 trimethylbenzene
1245 tetrachlorobenzene
124 trichlorobenzene
124 trimethylbenzene
12 diacetoxyethane
12 dibromoethane
12 dichlorobenzene
12 dichloroethane
12 dichloropropane
12 diethoxyethane
12 dimethoxyethane
12 ethanediol
135 trichlorobenzene
135 trimethylbenzene
13 dichlorobenzene
13 dichloropropane
13 dimethylnaphthalene
14 dichlorobenzene
14 dichlorobutane
14 dimethyl piperazine
14 dimethylnaphthalene
14 dioxane
1 bromo 2 chloroethane
1 bromo 2 methylpropane
1 bromobutane
1 bromoheptane
1 bromohexane
1 bromooctane
1 bromopentane
1 bromopropane
1 chloro 222 trifluoroethane
1 chlorobutane
1 chloroheptane
1 chlorohexane
1 chloropentane
1 chloropropane
1 ethylnaphthalene
1 iodobutane
1 iodoheptane
1 iodohexane
1 iodopentane
1 iodopropane

1,1,1,2-tetrachloroethane
1,1,1-trichloroethane
1,1,1-trifluoro-2,2,2-trimethoxy-ethane
1,1,1-trifluoropropan-2-ol
1,1,1-trimethoxyethane
1,1,2,2-tetrachloroethane
1,1,2-trichloro-1,2,2-trifluoro-ethane
1,1,2-trichloroethane
1-acetoxyethyl acetate
1,1-dichloroethane
1,1-dichloroethylene
1,1-diethoxyethane
1,1-difluoroethane
1,2,3,4-tetrachlorobenzene
1,2,3,5-tetrachlorobenzene
1,2,3-trichlorobenzene
1,2,3-trimethylbenzene
1,2,4,5-tetrachlorobenzene
1,2,4-trichlorobenzene
1,2,4-trimethylbenzene
2-acetoxyethyl acetate
1,2-dibromoethane
1,2-dichlorobenzene
1,2-dichloroethane
1,2-dichloropropane
1,2-diethoxyethane
1,2-dimethoxyethane
ethylene glycol
1,3,5-trichlorobenzene
mesitylene
1,3-dichlorobenzene
1,3-dichloropropane
1,3-dimethylnaphthalene
1,4-dichlorobenzene
1,4-dichlorobutane
1,4-dimethylpiperazine
1,4-dimethylnaphthalene
1,4-dioxane
1-bromo-2-chloro-ethane
1-bromo-2-methyl-propane
1-bromobutane
1-bromoheptane
1-bromohexane
1-bromooctane
1-bromopentane
1-bromopropane
2-chloro-1,1,1-trifluoro-ethane
1-chlorobutane
1-chloroheptane
1-chlorohexane
1-chloropentane
1-chloropropane
1-ethylnaphthalene
1-iodobutane
1-iodoheptane
1-iodohexane
1-iodopentane
1-iodopropane

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